2-Methyl-3-phenyl-(2H)isoxazol-5-one
TL;DR: 2-Methyl-3-phenyl-(2H)isoxazol-5-one (CAS 7713-60-2) is a chemical compound with molecular formula C10H9NO2 and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-phenyl-1,2-oxazol-5-one
Also Known As: 2-methyl-4-phenyl-1,2-oxazol-5-one, 2-Methyl-4-phenylisoxazol-5(2H)-one, 2-methyl-4-phenyl-5(2h)-isoxazolone, 5(2H)-Isoxazolone, 2-methyl-4-phenyl-, 2-Methyl-3-phenyl-(2H)isoxazol-5-one
| Molecular Formula | C10H9NO2 |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.06332 |
| Heavy Atoms | 13 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 7713-60-2 |
|---|---|
| SMILES | CN1C=C(C(=O)O1)C2=CC=CC=C2 |
| InChIKey | PPEZXAYLTMFTCB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-3-phenyl-(2H)isoxazol-5-one (CAS 7713-60-2), with molecular formula C10H9NO2 and molecular weight 175.06 g/mol. IUPAC: 2-methyl-4-phenyl-1,2-oxazol-5-one.
Chemical Property Profile of 2-Methyl-3-phenyl-(2H)isoxazol-5-one
Property Insights of 2-Methyl-3-phenyl-(2H)isoxazol-5-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-3-phenyl-(2H)isoxazol-5-one. With a topological polar surface area (TPSA) of 29.5 Ų, 2-Methyl-3-phenyl-(2H)isoxazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-3-phenyl-(2H)isoxazol-5-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Methyl-3-phenyl-(2H)isoxazol-5-one?
The CAS number of 2-Methyl-3-phenyl-(2H)isoxazol-5-one is 7713-60-2.
What is the molecular formula of 2-Methyl-3-phenyl-(2H)isoxazol-5-one?
The molecular formula of 2-Methyl-3-phenyl-(2H)isoxazol-5-one is C10H9NO2.
What is the molecular weight of 2-Methyl-3-phenyl-(2H)isoxazol-5-one?
The molecular weight of 2-Methyl-3-phenyl-(2H)isoxazol-5-one is 175.06 g/mol.
Where can I buy 2-Methyl-3-phenyl-(2H)isoxazol-5-one?
You can request a quote for 2-Methyl-3-phenyl-(2H)isoxazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-3-phenyl-(2H)isoxazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-phenyl-(2H)isoxazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.